(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one

C23H17NO2 — CID 69081973

IUPAC(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H17NO2/c25-23-24-21(22(26-23)19-11-5-2-6-12-19)20-13-7-10-18(16-20)15-14-17-8-3-1-4-9-17/h1-13,16,21-22H,(H,24,25)/t21-,22-/m1/s1
InChIKeyWNOORNNENVRQKM-FGZHOGPDSA-N
MW339.39 g/mol
LogP4.61
Rot. Bonds2

About (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one

(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 69081973) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID69081973
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H17NO2/c25-23-24-21(22(26-23)19-11-5-2-6-12-19)20-13-7-10-18(16-20)15-14-17-8-3-1-4-9-17/h1-13,16,21-22H,(H,24,25)/t21-,22-/m1/s1
InChIKeyWNOORNNENVRQKM-FGZHOGPDSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl 1-phenylethylcarbamate
CID 9837961
(4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69083336
(+)-(4R,5R)-5-(3-Methoxyphenyl)-4-(3-(phenylethynyl)phenyl)oxazolidin-2-one
CID 69083418
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
CID 9861019
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate
CID 95241701
5-(3-Methylphenyl)-1,3-oxazolidin-2-one
CID 64985229
4,5-Diphenyl-1,3-oxazolidin-2-one
CID 349667
benzyl N-[(1R)-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethyl]carbamate
CID 101852136
benzyl N-[(1S)-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethyl]carbamate
CID 101852138
(1s)-benzyl N-(1-phenylethyl)carbamate
CID 899805

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one (CID 69081973) is (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one is O=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is WNOORNNENVRQKM-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H17NO2/c25-23-24-21(22(26-23)19-11-5-2-6-12-19)20-13-7-10-18(16-20)15-14-17-8-3-1-4-9-17/h1-13,16,21-22H,(H,24,25)/t21-,22-/m1/s1.
What are the key properties of (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 339.39 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69081973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).